News – Hammes-Schiffer Research Group

Max’s paper in collaboration with the Moore group on managing the redox potential of PCET in Grotthuss-type proton wires is published at J. Am. Chem. Soc.!

DOI: 10.1021/jacs.2c05820

Phillips’ paper in collaboration with the Raugei group on multilevel computational studies reveal importance of axial ligand for oxygen reduction reaction on Fe-N-C materials is published at J. Am. Chem. Soc.!

Phillips’ paper in collaboration with the Raugei group on multilevel computational studies reveal importance of axial ligand for oxygen reduction reaction on Fe-N-C materials is published at J. Am. Chem. Soc.!

DOI: 10.1021/jacs.2c05779

Jiayun and Clorice’s paper on role of water in proton-coupled electron transfer between tyrosine and cysteine in ribonucleotide reductase is published at J. Am. Chem. Soc.!

Tao’s paper in collaboration with the Subotnik group on quantum simulations of vibrational strong coupling via path integrals is published at J. Phys. Chem. Lett.!

Tao’s paper on semiclassical real-time nuclear-electronic orbital approach for molecular polaritons: Unified theory of electronic and vibrational strong couplings is published at J. Chem. Theory Comp. !

Robert’s paper in collaboration with the Mayer group on Proton-coupled defects impact O—H bond dissociation free energies on metal oxide surfaces is published in J. Phys. Chem. Lett.!

Daniel’s paper in collaboration with the Yan group on Simulation of the Chiral Sum Frequency Generation Response of Supramolecular Structures Requires Vibrational Couplings is published in J. Phys. Chem. B!

Max’s paper on Artificial Neural Networks as Propagators in Quantum Dynamics is published in J. Phys. Chem. Lett.!

Max’s paper in collaboration with the Moore group on multi PCET in symmetrically substituted benzimidazoles is published in Chemical Science!

Philips and Robert’s paper on Multicapacitor approach to interfacial proton-coupled electron transfer thermodynamics at constant potential is published in J. Phys. Chem. C!

Max’s paper in collaboration with the Moore group on managing the redox potential of PCET in Grotthuss-type proton wires is published at J. Am. Chem. Soc.!

Phillips’ paper in collaboration with the Raugei group on multilevel computational studies reveal importance of axial ligand for oxygen reduction reaction on Fe-N-C materials is published at J. Am. Chem. Soc.!

Jiayun and Clorice’s paper on role of water in proton-coupled electron transfer between tyrosine and cysteine in ribonucleotide reductase is published at J. Am. Chem. Soc.!

Tao’s paper in collaboration with the Subotnik group on quantum simulations of vibrational strong coupling via path integrals is published at J. Phys. Chem. Lett.!

Tao’s paper on semiclassical real-time nuclear-electronic orbital approach for molecular polaritons: Unified theory of electronic and vibrational strong couplings is published at J. Chem. Theory Comp. !

Robert’s paper in collaboration with the Mayer group on Proton-coupled defects impact O—H bond dissociation free energies on metal oxide surfaces is published in J. Phys. Chem. Lett.!

Daniel’s paper in collaboration with the Yan group on Simulation of the Chiral Sum Frequency Generation Response of Supramolecular Structures Requires Vibrational Couplings is published in J. Phys. Chem. B!

Max’s paper on Artificial Neural Networks as Propagators in Quantum Dynamics is published in J. Phys. Chem. Lett.!

Max’s paper in collaboration with the Moore group on multi PCET in symmetrically substituted benzimidazoles is published in Chemical Science!

Philips and Robert’s paper on Multicapacitor approach to interfacial proton-coupled electron transfer thermodynamics at constant potential is published in J. Phys. Chem. C!

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